N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide

C14H13N3O3 — CID 137221937

IUPACN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C14H13N3O3/c1-9-4-5-12(18)10(7-9)8-16-17-14(20)11-3-2-6-15-13(11)19/h2-8,18H,1H3,(H,15,19)(H,17,20)/b16-8+
InChIKeyADGGLTORMYKKCA-LZYBPNLTSA-N
MW271.28 g/mol
LogP1.15
Rot. Bonds3

About N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide

N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 137221937) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID137221937
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(O)c(/C=N/NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C14H13N3O3/c1-9-4-5-12(18)10(7-9)8-16-17-14(20)11-3-2-6-15-13(11)19/h2-8,18H,1H3,(H,15,19)(H,17,20)/b16-8+
InChIKeyADGGLTORMYKKCA-LZYBPNLTSA-N
XLogP1.15
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 5334049
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
N'-(2,4-dihydroxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458965
2-hydroxy-N-[(E)-(2-hydroxyphenyl)methyleneamino]pyridine-3-carboxamide
CID 137221904
N-[(3-hydroxyphenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 714336
N'-(3,5-ditert-butyl-4-hydroxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135444132
3-[2-(2-hydroxybenzylidene)hydrazino]-N-isobutyl-3-oxopropanamide
CID 135446542
N'-(4-hydroxybenzylidene)-1-methyl-6-oxo-1,6-dihydro-3-pyridinecarbohydrazide
CID 135458964
1-[(2-Hydroxybenzylidene)amino]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 135478256
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methylprop-2-enamide
CID 135576426
N'-[(E)-{2-Hydroxy-3-[(1E)-prop-1-EN-1-YL]phenyl}methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
CID 135878189
N-[(Z)-[2-hydroxy-3-[(E)-prop-1-enyl]phenyl]methylideneamino]-6-oxo-1H-pyridazine-3-carboxamide
CID 136720535

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide (CID 137221937) is N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(O)c(/C=N/NC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ADGGLTORMYKKCA-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-4-5-12(18)10(7-9)8-16-17-14(20)11-3-2-6-15-13(11)19/h2-8,18H,1H3,(H,15,19)(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 137221937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).